Geometry & MOs

Info

ID:	129018
PubChem CID:	51066643
Reduced:	N2O2C5H8 (2)
Stoich.:	A2B2C5D8 (2)
Weight, g/mol:	469.216555
ΔH_f, kcal/mol:	-110.22
Dipole, Da:	0.12
IP(EA), eV:	-9.52(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)/N=N\C(=O)N2CCOCC2

DOS

IR

Vibrations